(1S)-1-phenyl-N-pyridin-1-ium-2-yl-N'-pyridin-2-yl-methanediamine

Systemtic Name: (1S)-1-phenyl-N-pyridin-1-ium-2-yl-N'-pyridin-2-yl-methanediamine Openeye Name: (1S)-1-phenyl-N-pyridin-1-ium-2-yl-N'-(2-pyridyl)methanediamine CAS Name: (1S)-1-phenyl-N-(2-pyridin-1-iumyl)-N'-(2-pyridinyl)methanediamine IUPAC Name: (1S)-1-phenyl-N-pyridin-1-ium-2-yl-N'-pyridin-2-ylmethanediamine Traditional Name: [(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]-(2-pyridyl)amine Formula: C17H17N4+ MolecularWeight: 277.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC=CC=[NH+]2)NC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](NC2=CC=CC=[NH+]2)NC3=CC=CC=N3

InChI

InChI=1S/C17H16N4/c1-2-8-14(9-3-1)17(20-15-10-4-6-12-18-15)21-16-11-5-7-13-19-16/h1-13,17H,(H,18,20)(H,19,21)/p+1